Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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JAGOITE
2
(Pb,Ca,Mn,Na,K)(24)(Fe,Mn,Mg)(8)(Si,Al,Be)(27)O(84)(OH,Cl)(8)
Hexagonal P 6(-)2c Z = 1
R =0.057
7 .7 .1997
Ref.Str.:
Mellini M., Merlino S. (1981)
* Amer. Mineral., 66, 852-858
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.528 alpha = 90.0
b = 8.528 beta = 90.0
c = 33.33 gamma = 120.0
Unit cell volume (cub. angs.) = 2099.23
Molar volume ( cub.cm/mol.) = 1264.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.3305 0.69 Pb = 0.59, Na = 0.31, Ca = 0.1
2 0.3679 0.4114 0.4243 0.82 Pb = 1.00
3 0.8889 0.2772 0.25 1.89 Pb = 1.00
4 0.0 0.0 0.4302 0.24 Fe = 0.54, Mg = 0.25, Mn = 0.21
5 0.275 0.0 0.0 0.97 Si = 0.4 , Fe = 0.45, Al = 0.15
6 0.0 0.0 0.3031 1.22 Si = 0.42, Fe = 0.5 , Be = 0.08
7 0.6667 0.3333 0.4966 0.8 Si = 1.00
8 0.6667 0.3333 0.3387 0.5 Si = 1.00
9 0.2903 0.024 0.3626 0.6 Si = 1.00
10 0.225 0.112 0.394 1.0 O = 1.00
11 0.103 0.222 0.463 0.4 O = 1.00
12 0.6667 0.3333 0.543 0.3 O = 1.00
13 0.169 0.477 0.52 2.0 O = 1.00
14 0.176 0.434 0.375 0.3 O = 1.00
15 0.989 0.187 0.319 1.7 O = 1.00
16 0.6667 0.3333 0.296 2.0 O = 1.00
17 0.86 0.37 0.358 2.2 O = 1.00
18 0.0 0.0 0.25 6.0 O = 1.00
19 0.337 0.42 0.25 2.1 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.3305
2 2 0.3679 0.4114 0.4243
3 3 0.8889 0.2772 0.25
4 4 0.0 0.0 0.4302
5 5 0.275 0.0 0.0
6 6 0.0 0.0 0.3031
7 7 0.6667 0.3333 0.4966
8 8 0.6667 0.3333 0.3387
9 9 0.2903 0.024 0.3626
10 10 0.225 0.112 0.394
11 11 0.103 0.222 0.463
12 12 0.6667 0.3333 0.543
13 13 0.169 0.477 0.52
14 14 0.176 0.434 0.375
15 15 0.989 0.187 0.319
16 16 0.6667 0.3333 0.296
17 17 0.86 0.37 0.358
18 18 0.0 0.0 0.25
19 19 0.337 0.42 0.25
20 2 0.5886 0.9565 0.4243
21 2 0.0435 0.6321 0.4243
22 3 0.7228 0.6117 0.25
23 3 0.3883 0.1111 0.25
24 5 0.0 0.275 0.0
25 5 0.725 0.725 0.0
26 9 0.976 0.2663 0.3626
27 9 0.7337 0.7097 0.3626
28 10 0.888 0.113 0.394
29 10 0.887 0.775 0.394
30 11 0.778 0.881 0.463
31 11 0.119 0.897 0.463
32 13 0.523 0.692 0.52
33 13 0.308 0.831 0.52
34 14 0.566 0.742 0.375
35 14 0.258 0.824 0.375
36 15 0.813 0.802 0.319
37 15 0.198 0.011 0.319
38 17 0.63 0.49 0.358
39 17 0.51 0.14 0.358
40 19 0.58 0.917 0.25
41 19 0.083 0.663 0.25
42 1 0.3333 0.6667 0.1695
43 2 0.3679 0.4114 0.0757
44 4 0.0 0.0 0.0698
45 5 0.275 0.0 0.5
46 6 0.0 0.0 0.1969
47 7 0.6667 0.3333 0.0034
48 8 0.6667 0.3333 0.1613
49 9 0.2903 0.024 0.1374
50 10 0.225 0.112 0.106
51 11 0.103 0.222 0.037
52 12 0.6667 0.3333 0.957
53 13 0.169 0.477 0.98
54 14 0.176 0.434 0.125
55 15 0.989 0.187 0.181
56 16 0.6667 0.3333 0.204
57 17 0.86 0.37 0.142
58 2 0.5886 0.9565 0.0757
59 2 0.0435 0.6321 0.0757
60 5 0.0 0.275 0.5
61 5 0.725 0.725 0.5
62 9 0.976 0.2663 0.1374
63 9 0.7337 0.7097 0.1374
64 10 0.888 0.113 0.106
65 10 0.887 0.775 0.106
66 11 0.778 0.881 0.037
67 11 0.119 0.897 0.037
68 13 0.523 0.692 0.98
69 13 0.308 0.831 0.98
70 14 0.566 0.742 0.125
71 14 0.258 0.824 0.125
72 15 0.813 0.802 0.181
73 15 0.198 0.011 0.181
74 17 0.63 0.49 0.142
75 17 0.51 0.14 0.142
76 1 0.6667 0.3333 0.8305
77 2 0.4114 0.3679 0.9243
78 3 0.2772 0.8889 0.75
79 4 0.0 0.0 0.9302
80 6 0.0 0.0 0.8031
81 7 0.3333 0.6667 0.9966
82 8 0.3333 0.6667 0.8387
83 9 0.024 0.2903 0.8626
84 10 0.112 0.225 0.894
85 11 0.222 0.103 0.963
86 12 0.3333 0.6667 0.043
87 13 0.477 0.169 0.02
88 14 0.434 0.176 0.875
89 15 0.187 0.989 0.819
90 16 0.3333 0.6667 0.796
91 17 0.37 0.86 0.858
92 18 0.0 0.0 0.75
93 19 0.42 0.337 0.75
94 2 0.9565 0.5886 0.9243
95 2 0.6321 0.0435 0.9243
96 3 0.6117 0.7228 0.75
97 3 0.1111 0.3883 0.75
98 9 0.2663 0.976 0.8626
99 9 0.7097 0.7337 0.8626
100 10 0.113 0.888 0.894
101 10 0.775 0.887 0.894
102 11 0.881 0.778 0.963
103 11 0.897 0.119 0.963
104 13 0.692 0.523 0.02
105 13 0.831 0.308 0.02
106 14 0.742 0.566 0.875
107 14 0.824 0.258 0.875
108 15 0.802 0.813 0.819
109 15 0.011 0.198 0.819
110 17 0.49 0.63 0.858
111 17 0.14 0.51 0.858
112 19 0.917 0.58 0.75
113 19 0.663 0.083 0.75
114 1 0.6667 0.3333 0.6695
115 2 0.4114 0.3679 0.5757
116 4 0.0 0.0 0.5698
117 6 0.0 0.0 0.6969
118 7 0.3333 0.6667 0.5034
119 8 0.3333 0.6667 0.6613
120 9 0.024 0.2903 0.6374
121 10 0.112 0.225 0.606
122 11 0.222 0.103 0.537
123 12 0.3333 0.6667 0.457
124 13 0.477 0.169 0.48
125 14 0.434 0.176 0.625
126 15 0.187 0.989 0.681
127 16 0.3333 0.6667 0.704
128 17 0.37 0.86 0.642
129 2 0.9565 0.5886 0.5757
130 2 0.6321 0.0435 0.5757
131 9 0.2663 0.976 0.6374
132 9 0.7097 0.7337 0.6374
133 10 0.113 0.888 0.606
134 10 0.775 0.887 0.606
135 11 0.881 0.778 0.537
136 11 0.897 0.119 0.537
137 13 0.692 0.523 0.48
138 13 0.831 0.308 0.48
139 14 0.742 0.566 0.625
140 14 0.824 0.258 0.625
141 15 0.802 0.813 0.681
142 15 0.011 0.198 0.681
143 17 0.49 0.63 0.642
144 17 0.14 0.51 0.642
X-ray density (g/cm cub.) = 5.49
MU (1/cm) = 944.222 Mass attenuation coefficient (cm**2/g) = 171.936
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Na ,Ca 3.684 12
2.2968 14
3.6731 15
3.6498 17
3.4194 19
2.297 14
2.2963 14
3.6734 15
3.6725 15
3.6505 17
3.6497 17
3.4191 19
3.4188 19
2 Pb 3.684 8
2.4316 10
2.3932 11
2.3939 14
2.9563 14
2.9716 17
2.5802 12
3.2417 13
3.0595 13
3 Pb 3.684 8
2.6956 15
2.6602 16
2.9539 18
3.3812 19
2.8781 19
2.8493 19
2.6956 15
2.6602 16
4 Fe ,Mg ,Mn 3.264 6
2.0536 10
1.9718 11
2.0535 10
2.0536 10
1.9718 11
1.9719 11
5 Si ,Fe ,Al 3.132 4
1.701 11
1.7339 13
1.7011 11
1.7339 13
6 Si ,Fe ,Be 3.132 4
1.727 15
1.7698 18
1.727 15
1.7271 15
7 Si 2.64 4
1.5465 12
1.6186 13
1.6189 13
1.618 13
8 Si 2.64 4
1.4232 16
1.6472 17
1.6479 17
1.6474 17
9 Si 2.64 4
1.5448 10
1.6389 14
1.6298 15
1.6307 17
10 O 3.804 11
2.8683 11
3.0436 14
3.4635 15
2.8782 10
2.8782 10
2.7947 11
2.684 14
2.6164 15
3.5533 17
2.6123 17
3.4679 13
11 O 3.804 11
2.8683 10
2.726 13
3.3367 14
2.7947 10
2.8423 11
2.8423 11
3.0287 11
3.2911 12
3.4842 13
2.8979 11
2.818 13
12 O 3.804 9
3.2911 11
2.5928 13
3.2473 14
3.2911 11
3.2903 11
2.593 13
2.5925 13
3.2474 14
3.247 14
13 O 3.804 8
2.726 11
2.6345 13
2.6345 13
3.4679 10
3.4842 11
2.5928 12
2.8179 11
2.83 13
14 O 3.804 9
3.0436 10
3.3367 11
2.6655 15
2.5319 17
2.684 10
3.0372 14
3.0372 14
3.7001 17
3.2473 12
15 O 3.804 9
3.4635 10
2.6655 14
3.6233 16
2.6556 17
2.8268 18
3.4854 19
2.6164 10
2.847 15
2.847 15
16 O 3.804 10
3.6233 15
2.5631 17
3.5891 19
3.624 15
3.6238 15
2.5636 17
2.5633 17
3.5884 19
3.5887 19
3.0664 16
17 O 3.804 8
2.5319 14
2.6556 15
2.5631 16
2.6123 10
3.5533 10
3.7001 14
2.6271 17
2.6271 17
18 O 3.804 9
2.8268 15
3.2855 19
2.8268 15
2.8268 15
3.2855 19
3.2856 19
2.8268 15
2.8268 15
2.8268 15
19 Cl 4.344 11
3.4854 15
3.5891 16
3.2855 18
3.8374 15
4.2504 17
3.6708 19
3.6708 19
3.4854 15
3.5891 16
3.8374 15
4.2504 17
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 2 2.649 5.298 0.03 933.15 2 81.1 278.8
2 0 0 4 5.304 10.608 0.06 231.06 2 49.0 25.1
3 1 0 0 5.987 11.973 0.068 180.89 6 84.9 177.4
4 1 0 1 6.132 12.265 0.069 172.29 12 16.0 12.0
5 1 0 2 6.551 13.101 0.074 150.71 12 10.0 4.1
6 1 0 3 7.195 14.389 0.081 124.56 12 261.2 2313.9
7 0 0 6 7.971 15.941 0.09 101.07 2 812.0 3024.4
8 1 0 4 8.011 16.023 0.09 100.02 12 39.8 43.0
9 1 0 5 8.955 17.91 0.101 79.61 12 92.7 186.5
10 1 0 6 9.992 19.984 0.113 63.52 12 17.7 5.4
11 1 1 0 10.407 20.815 0.117 58.38 6 185.3 273.1
12 0 0 8 10.654 21.309 0.12 55.6 2 53.3 7.2
13 1 1 2 10.747 21.493 0.121 54.62 12 497.4 3680.3
14 1 0 7 11.098 22.195 0.125 51.09 12 165.1 379.3
15 1 1 4 11.708 23.416 0.132 45.68 12 329.3 1348.7
16 2 0 0 12.04 24.08 0.135 43.09 6 123.8 89.9
17 2 0 1 12.115 24.229 0.136 42.53 12 247.3 708.2
18 1 0 8 12.256 24.511 0.138 41.51 12 1.5 0.0
19 2 0 2 12.337 24.673 0.139 40.94 12 236.6 623.9
20 2 0 3 12.698 25.396 0.143 38.53 12 294.2 908.1
21 1 1 6 13.163 26.327 0.148 35.71 12 847.6 6986.4
22 2 0 4 13.189 26.378 0.148 35.57 12 121.0 141.9
23 0 0 10 13.362 26.725 0.15 34.6 2 465.1 339.7
24 1 0 9 13.455 26.91 0.151 34.09 12 280.0 728.0
25 2 0 5 13.796 27.592 0.155 32.33 12 3.6 0.1
26 2 0 6 14.506 29.012 0.163 29.06 12 462.3 1691.3
27 1 0 10 14.688 29.376 0.165 28.29 12 117.0 105.5
28 1 1 8 14.98 29.961 0.168 27.12 12 799.9 4725.3
29 2 0 7 15.306 30.612 0.171 25.9 12 95.2 63.9
30 1 0 11 15.949 31.898 0.178 23.7 12 106.5 73.2
31 2 1 0 16.018 32.036 0.179 23.48 12 413.9 1095.2
32 2 1 1 16.076 32.152 0.18 23.3 24 398.9 2019.5
33 0 0 12 16.101 32.202 0.18 23.22 2 1185.4 1480.9
34 2 0 8 16.185 32.37 0.181 22.96 12 419.4 1099.8
35 2 1 2 16.248 32.495 0.182 22.77 24 215.4 575.6
36 2 1 3 16.53 33.06 0.185 21.94 24 171.1 349.7
37 2 1 4 16.919 33.838 0.189 20.86 24 187.4 398.9
38 1 1 10 17.058 34.115 0.19 20.49 12 218.1 265.5
39 2 0 9 17.132 34.264 0.191 20.3 12 226.0 282.3
40 1 0 12 17.235 34.47 0.192 20.03 12 243.6 323.8
41 2 1 5 17.407 34.814 0.194 19.6 24 442.7 2092.5
42 2 1 6 17.988 35.977 0.2 18.24 24 377.7 1417.6
43 2 0 10 18.139 36.278 0.202 17.91 12 94.9 43.9
44 3 0 0 18.233 36.467 0.203 17.71 6 855.8 1765.9
45 3 0 1 18.285 36.57 0.204 17.6 12 57.3 15.7
46 3 0 2 18.438 36.877 0.205 17.28 12 72.0 24.4
47 1 0 13 18.544 37.087 0.206 17.06 12 23.3 2.5
48 2 1 7 18.655 37.31 0.208 16.84 24 315.5 913.2
49 3 0 3 18.692 37.384 0.208 16.77 12 73.6 24.7
50 0 0 14 18.878 37.755 0.21 16.41 2 282.7 59.5
51 3 0 4 19.042 38.084 0.212 16.1 12 56.8 14.2
52 2 0 11 19.199 38.397 0.213 15.81 12 180.1 139.7
53 1 1 12 19.328 38.656 0.215 15.57 12 347.0 510.7
54 2 1 8 19.4 38.799 0.216 15.45 24 246.0 509.2
55 3 0 5 19.484 38.968 0.217 15.3 12 298.6 371.5
56 1 0 14 19.874 39.747 0.221 14.64 12 79.1 24.9
57 3 0 6 20.013 40.027 0.222 14.41 12 196.1 151.0
58 2 1 9 20.216 40.431 0.224 14.1 24 213.9 351.1
59 2 0 12 20.305 40.61 0.225 13.96 12 122.3 56.8
60 3 0 7 20.624 41.249 0.229 13.48 12 28.0 2.9
61 2 1 10 21.096 42.193 0.234 12.81 24 93.5 61.0
62 2 2 0 21.18 42.359 0.235 12.7 6 317.2 174.0
63 1 0 15 21.224 42.447 0.235 12.64 12 26.4 2.4
64 3 0 8 21.311 42.622 0.236 12.53 12 342.3 399.6
65 2 2 2 21.361 42.722 0.236 12.46 12 209.9 149.5
66 2 0 13 21.454 42.908 0.237 12.34 12 315.9 335.2
67 0 0 16 21.702 43.403 0.24 12.03 2 709.0 274.3
68 1 1 14 21.75 43.501 0.241 11.97 12 555.9 1007.1
69 2 2 4 21.897 43.793 0.242 11.79 12 88.7 25.3
70 2 1 11 22.036 44.073 0.244 11.62 24 429.3 1166.3
71 3 0 9 22.069 44.137 0.244 11.58 12 41.6 5.5
72 3 1 0 22.089 44.178 0.244 11.56 12 571.1 1026.5
73 3 1 1 22.133 44.266 0.245 11.51 24 128.9 104.1
74 3 1 2 22.264 44.528 0.246 11.35 24 108.5 72.8
75 3 1 3 22.482 44.963 0.248 11.11 24 297.8 536.5
76 1 0 16 22.594 45.188 0.249 10.98 12 48.5 7.0
77 2 0 14 22.641 45.283 0.25 10.93 12 401.5 479.9
78 2 2 6 22.767 45.535 0.251 10.79 12 314.4 290.5
79 3 1 4 22.783 45.566 0.251 10.78 24 63.8 23.9
80 3 0 10 22.891 45.783 0.252 10.66 12 81.8 19.4
81 2 1 12 23.031 46.061 0.254 10.52 24 252.6 365.4
82 3 1 5 23.166 46.333 0.255 10.38 24 94.2 50.2
83 3 1 6 23.628 47.256 0.26 9.92 24 452.4 1106.1
84 3 0 11 23.775 47.55 0.262 9.79 12 176.7 83.2
85 2 0 15 23.865 47.73 0.263 9.7 12 281.3 209.1
86 2 2 8 23.945 47.889 0.263 9.63 12 246.8 159.8
87 1 0 17 23.985 47.969 0.264 9.59 12 88.2 20.3
88 2 1 13 24.075 48.15 0.265 9.51 24 233.7 283.0
89 3 1 7 24.165 48.33 0.266 9.43 24 186.2 178.1
90 1 1 16 24.302 48.603 0.267 9.31 12 239.9 146.0
91 0 0 18 24.582 49.164 0.27 9.07 2 748.7 230.8
92 4 0 0 24.657 49.314 0.271 9.01 6 288.3 102.0
93 4 0 1 24.697 49.395 0.271 8.98 12 172.5 72.7
94 3 0 12 24.715 49.43 0.271 8.96 12 595.4 865.1
95 3 1 8 24.774 49.548 0.272 8.91 24 156.1 118.3
96 4 0 2 24.818 49.636 0.272 8.88 12 42.9 4.4
97 4 0 3 25.018 50.037 0.275 8.72 12 500.2 593.9
98 2 0 16 25.122 50.244 0.276 8.63 12 66.9 10.5
99 2 1 14 25.166 50.332 0.276 8.6 24 290.9 396.3
100 4 0 4 25.297 50.593 0.277 8.5 12 35.9 3.0
101 1 0 18 25.396 50.791 0.278 8.42 12 14.2 0.5
102 2 2 10 25.397 50.794 0.278 8.42 12 15.7 0.6
103 3 1 9 25.451 50.902 0.279 8.38 24 300.6 412.5
104 4 0 5 25.651 51.303 0.281 8.23 12 145.1 47.2
105 3 0 13 25.708 51.415 0.282 8.19 12 114.0 29.0
106 4 0 6 26.08 52.16 0.285 7.93 12 346.2 258.8
107 3 1 10 26.192 52.385 0.287 7.85 24 133.3 76.0
108 2 1 15 26.3 52.601 0.288 7.78 24 162.1 111.3
109 2 0 17 26.412 52.824 0.289 7.7 12 22.3 1.0
110 4 0 7 26.581 53.161 0.29 7.59 12 133.6 36.9
111 3 0 14 26.75 53.499 0.292 7.48 12 368.6 276.9
112 1 0 19 26.828 53.657 0.293 7.43 12 233.9 110.8
113 1 1 18 26.97 53.94 0.294 7.35 12 446.7 399.1
114 3 1 11 26.995 53.99 0.295 7.33 24 147.9 87.4
115 3 2 0 27.04 54.081 0.295 7.3 12 175.1 61.0
116 3 2 1 27.078 54.156 0.295 7.28 24 262.2 272.6
117 2 2 12 27.095 54.189 0.296 7.27 12 159.4 50.3
118 4 0 8 27.15 54.3 0.296 7.23 12 116.6 26.8
119 3 2 2 27.191 54.383 0.297 7.21 24 350.5 482.5
120 3 2 3 27.379 54.758 0.299 7.1 24 267.6 276.9
121 2 1 16 27.476 54.953 0.299 7.04 24 228.0 199.4
122 0 0 20 27.53 55.06 0.3 7.01 2 343.4 37.5
123 3 2 4 27.641 55.281 0.301 6.95 24 208.1 163.8
124 2 0 18 27.734 55.467 0.302 6.89 12 255.9 123.0
125 4 0 9 27.785 55.571 0.303 6.86 12 428.2 342.8
126 3 0 15 27.839 55.677 0.303 6.83 12 3.4 0.0
127 3 1 12 27.856 55.712 0.303 6.82 24 430.9 690.3
128 3 2 5 27.974 55.949 0.304 6.76 24 341.0 428.0
129 1 0 20 28.284 56.567 0.308 6.59 12 141.8 36.1
130 3 2 6 28.379 56.757 0.309 6.54 24 409.6 597.8
131 4 0 10 28.485 56.969 0.31 6.49 12 176.6 55.1
132 4 1 0 28.551 57.103 0.31 6.45 12 432.9 329.4
133 4 1 1 28.588 57.176 0.311 6.44 24 114.5 45.9
134 2 1 17 28.692 57.385 0.312 6.38 24 457.7 728.2
135 4 1 2 28.697 57.394 0.312 6.38 24 140.9 69.0
136 3 1 13 28.772 57.544 0.312 6.34 24 93.5 30.2
137 3 2 7 28.852 57.703 0.313 6.3 24 170.0 99.2
138 4 1 3 28.878 57.757 0.313 6.29 24 311.4 332.2
139 3 0 16 28.972 57.945 0.314 6.24 12 234.1 93.2
140 2 2 14 29.012 58.024 0.315 6.22 12 218.2 80.7
141 2 0 19 29.087 58.173 0.316 6.19 12 76.4 9.8
142 4 1 4 29.131 58.262 0.316 6.17 24 64.7 14.1
143 4 0 11 29.245 58.489 0.317 6.11 12 339.0 191.3
144 3 2 8 29.392 58.783 0.319 6.05 24 375.4 463.9
145 4 1 5 29.454 58.907 0.319 6.02 24 174.1 99.3
146 3 1 14 29.741 59.482 0.322 5.89 24 188.8 114.3
147 1 1 20 29.753 59.506 0.322 5.88 12 586.6 551.1
148 1 0 21 29.762 59.525 0.322 5.88 12 245.7 96.6
149 4 1 6 29.845 59.69 0.323 5.84 24 211.9 142.8
150 2 1 18 29.947 59.893 0.324 5.8 24 279.7 247.0
151 3 2 9 29.996 59.992 0.325 5.78 24 280.4 247.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 2 2.649 5.298 16.665 278.8 3.9 4.0 5.5
2 1 0 0 5.987 11.973 7.38547 177.4 2.5 2.5 5.6
3 1 0 3 7.195 14.389 6.15049 2313.9 32.5 32.7 5.6
4 0 0 6 7.971 15.941 5.555 3024.4 42.4 42.7 5.6
5 1 0 5 8.955 17.91 4.94844 186.5 2.6 2.6 5.6
6 1 1 0 10.407 20.815 4.264 273.1 3.8 3.8 5.6
7 1 1 2 10.747 21.493 4.13092 3680.3 51.6 51.8 5.6
8 1 0 7 11.098 22.195 4.00185 379.3 5.3 5.3 5.6
9 1 1 4 11.708 23.416 3.79586 1348.7 18.9 19.0 5.6
10 2 0 0 12.04 24.08 3.69273 89.9 1.3 1.3 5.6
11 2 0 1 12.115 24.229 3.67027 708.2 9.9 10.0 5.6
12 2 0 2 12.337 24.673 3.60528 623.9 8.8 8.8 5.6
13 2 0 3 12.698 25.396 3.50424 908.1 12.7 12.7 5.6
14 1 1 6 13.163 26.327 3.38242 7128.3 100.0 100.0 5.6
15 0 0 10 13.362 26.725 3.333 339.7 4.8 4.8 5.6
16 1 0 9 13.455 26.91 3.31046 728.0 10.2 10.2 5.6
17 2 0 6 14.506 29.012 3.07525 1691.3 23.7 23.7 5.6
18 1 0 10 14.688 29.376 3.03796 105.5 1.5 1.5 5.6
19 1 1 8 14.98 29.961 2.97994 4725.3 66.3 66.1 5.6
20 1 0 11 15.949 31.898 2.80325 73.2 1.0 1.0 5.6
21 2 1 0 16.018 32.036 2.79144 1095.2 15.4 15.3 5.6
22 2 1 1 16.076 32.152 2.7817 3500.4 49.1 48.9 5.6
23 2 0 8 16.185 32.37 2.76347 1099.8 15.4 15.4 5.6
24 2 1 2 16.248 32.495 2.75309 575.6 8.1 8.0 5.6
25 2 1 3 16.53 33.06 2.7073 349.7 4.9 4.9 5.6
26 2 1 4 16.919 33.838 2.64686 398.9 5.6 5.6 5.7
27 1 1 10 17.058 34.115 2.62596 265.5 3.7 3.7 5.7
28 2 0 9 17.132 34.264 2.6149 282.3 4.0 3.9 5.7
29 1 0 12 17.235 34.47 2.59973 323.8 4.5 4.5 5.7
30 2 1 5 17.407 34.814 2.5748 2092.5 29.4 29.1 5.7
31 2 1 6 17.988 35.977 2.49423 1417.6 19.9 19.7 5.7
32 3 0 0 18.233 36.467 2.46182 1765.9 24.8 24.6 5.7
33 2 1 7 18.655 37.31 2.40811 913.2 12.8 12.7 5.7
34 2 0 11 19.199 38.397 2.34239 139.7 2.0 1.9 5.7
35 1 1 12 19.328 38.656 2.3273 510.7 7.2 7.1 5.7
36 2 1 8 19.4 38.799 2.31903 509.2 7.1 7.1 5.7
37 3 0 5 19.484 38.968 2.30937 371.5 5.2 5.2 5.7
38 3 0 6 20.013 40.027 2.2507 151.0 2.1 2.1 5.7
39 2 1 9 20.216 40.431 2.22912 351.1 4.9 4.9 5.7
40 2 2 0 21.18 42.359 2.132 174.0 2.4 2.4 5.7
41 3 0 8 21.311 42.622 2.11946 399.6 5.6 5.5 5.7
42 2 2 2 21.361 42.722 2.11476 149.5 2.1 2.1 5.7
43 2 0 13 21.454 42.908 2.10601 335.2 4.7 4.6 5.7
44 0 0 16 21.702 43.403 2.08313 274.3 3.8 3.8 5.7
45 1 1 14 21.75 43.501 2.07867 1007.1 14.1 13.9 5.7
46 2 1 11 22.036 44.073 2.05301 1166.3 16.4 16.1 5.7
47 3 1 0 22.089 44.178 2.04836 1032.0 14.5 14.2 5.7
48 3 1 1 22.133 44.266 2.0445 104.1 1.5 1.4 5.7
49 3 1 2 22.264 44.528 2.03306 72.8 1.0 1.0 5.7
50 3 1 3 22.482 44.963 2.01441 536.5 7.5 7.4 5.7
51 2 0 14 22.641 45.283 2.00092 479.9 6.7 6.6 5.7
52 2 2 6 22.767 45.535 1.99044 314.4 4.4 4.3 5.7
53 2 1 12 23.031 46.061 1.9689 365.4 5.1 5.0 5.7
54 3 1 6 23.628 47.256 1.92186 1106.1 15.5 15.2 5.7
55 3 0 11 23.775 47.55 1.91067 83.2 1.2 1.1 5.7
56 2 0 15 23.865 47.73 1.9039 209.1 2.9 2.9 5.7
57 2 2 8 23.945 47.889 1.89793 159.8 2.2 2.2 5.7
58 2 1 13 24.075 48.15 1.88826 283.0 4.0 3.9 5.7
59 3 1 7 24.165 48.33 1.88163 178.1 2.5 2.4 5.7
60 1 1 16 24.302 48.603 1.87171 146.0 2.0 2.0 5.7
61 0 0 18 24.582 49.164 1.85167 230.8 3.2 3.2 5.7
62 4 0 0 24.657 49.314 1.84637 102.0 1.4 1.4 5.7
63 3 0 12 24.715 49.43 1.84231 937.8 13.2 12.9 5.7
64 3 1 8 24.774 49.548 1.8382 118.3 1.7 1.6 5.7
65 4 0 3 25.018 50.037 1.82139 593.9 8.3 8.1 5.7
66 2 1 14 25.166 50.332 1.8114 396.3 5.6 5.4 5.8
67 3 1 9 25.451 50.902 1.79244 412.5 5.8 5.6 5.8
68 4 0 6 26.08 52.16 1.75212 258.8 3.6 3.5 5.8
69 3 1 10 26.192 52.385 1.74514 76.0 1.1 1.0 5.8
70 2 1 15 26.3 52.601 1.73847 111.3 1.6 1.5 5.8
71 3 0 14 26.75 53.499 1.71137 276.9 3.9 3.8 5.8
72 1 0 19 26.828 53.657 1.70673 110.8 1.6 1.5 5.8
73 1 1 18 26.97 53.94 1.69844 486.5 6.8 6.6 5.8
74 3 2 1 27.078 54.156 1.69216 322.9 4.5 4.4 5.8
75 3 2 2 27.191 54.383 1.68565 482.5 6.8 6.6 5.8
76 3 2 3 27.379 54.758 1.67498 276.9 3.9 3.8 5.8
77 2 1 16 27.476 54.953 1.6695 199.4 2.8 2.7 5.8
78 3 2 4 27.641 55.281 1.66036 163.8 2.3 2.2 5.8
79 2 0 18 27.734 55.467 1.65523 123.0 1.7 1.7 5.8
80 4 0 9 27.785 55.571 1.65239 342.8 4.8 4.7 5.8
81 3 1 12 27.856 55.712 1.64854 690.3 9.7 9.4 5.8
82 3 2 5 27.974 55.949 1.64213 428.0 6.0 5.8 5.8
83 3 2 6 28.379 56.757 1.62063 597.8 8.4 8.1 5.8
84 4 1 0 28.551 57.103 1.61164 329.4 4.6 4.5 5.8
85 2 1 17 28.692 57.385 1.6044 797.2 11.2 10.8 5.8
86 4 1 3 28.878 57.757 1.59495 431.3 6.1 5.9 5.8
87 3 0 16 28.972 57.945 1.59021 93.2 1.3 1.3 5.8
88 2 2 14 29.012 58.024 1.58823 80.7 1.1 1.1 5.8
89 4 0 11 29.245 58.489 1.5767 191.3 2.7 2.6 5.8
90 3 2 8 29.392 58.783 1.56951 463.9 6.5 6.3 5.8
91 4 1 5 29.454 58.907 1.56651 99.3 1.4 1.3 5.8
92 1 1 20 29.753 59.506 1.55217 762.1 10.7 10.3 5.8
93 4 1 6 29.845 59.69 1.54781 142.8 2.0 1.9 5.8
94 2 1 18 29.947 59.893 1.54305 247.0 3.5 3.3 5.8
95 3 2 9 29.996 59.992 1.54074 247.2 3.5 3.3 5.8
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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